Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.61 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.51 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | RHOA | P61586 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5709396 | 0.89 | PDE10A (0.67) | PDE10AMEN1KMT2AMAPTKDM4E | |
| SCHEMBL9952773 | 0.79 | CYSLTR1 (0.66) | CYSLTR2CYSLTR1MAPTRXFP1CYP1A2 | |
| SCHEMBL27826268 | 0.79 | PDE10A (0.57) | PDE10AMEN1KMT2AMAPTKDM4E | |
| SCHEMBL7071801 | 0.78 | PDE10A (0.71) | PDE10AMEN1KMT2AMAPTKDM4E | |
| SCHEMBL25412037 | 0.78 | PDE10A (0.60) | PDE10AMEN1KMT2AMAPTRXFP1 | |
| SCHEMBL7831703 | 0.78 | CYSLTR1 (0.64) | CYSLTR2CYSLTR1MAPTRXFP1CYP1A2 | |
| SCHEMBL8649122 | 0.78 | CYSLTR1 (0.64) | CYSLTR2CYSLTR1MAPTRXFP1CYP1A2 | |
| SCHEMBL12066225 | 0.77 | PDE10A (1.00) | PDE10AMEN1KMT2AMAPT | |
| SCHEMBL7109686 | 0.77 | PDE10A (0.69) | PDE10AMEN1KMT2AMAPTKDM4E | |
| SCHEMBL5197022 | 0.76 | CYP1A2 (0.55) | CYSLTR2CYSLTR1MAPTRXFP1ALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2661428-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-11-13 | — | — | EP | disclosed |
| WO-2012087861-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-06-28 | — | — | WO | disclosed |